2R8S

High resolution structure of a specific synthetic FAB bound to P4-P6 RNA ribozyme domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-29
Detector	SBC-2
Spacegroup name	C 1 2 1
Unit cell lengths	133.085, 53.230, 160.555
Unit cell angles	90.00, 108.42, 90.00

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.19632
Rwork	0.195
R-free	0.22607
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TZI 1HR2
RMSD bond length	0.007
RMSD bond angle	1.330
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.088	0.480
Number of reflections	77127
<I/σ(I)>	16.7	1.6
Completeness [%]	98.6
Redundancy	5.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.9	277	34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MPD
2	1	1	sodium citrate
3	1	1	ammonium acetate
4	1	1	MgCl2
5	1	2	MPD
6	1	2	sodium citrate
7	1	2	ammonium acetate
8	1	2	MgCl2