1NV9

HemK, apo structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	82.897, 59.013, 63.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.350 *
R-factor	0.24166
Rwork	0.239
R-free	0.30000 *
Structure solution method	MAD
Starting model (for MR)	1nv8
RMSD bond length	0.026
RMSD bond angle	2.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.039	0.404
Total number of observations	100547 *
Number of reflections	24661 *
<I/σ(I)>	20	2.3
Completeness [%]	97.7	79.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292	PEG3000, Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 19K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	reservoir	PEG3000	16-20 (%)
3	1	reservoir	sodium citrate trihydrate	100 (mM)	pH5.5