5DRF

Green/cyan WasCFP-pH5.5 at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	44.994, 51.289, 47.940
Unit cell angles	90.00, 95.46, 90.00

Refinement procedure

Resolution	21.640 - 1.140
R-factor	0.1355
Rwork	0.135
R-free	0.16460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dqb
RMSD bond length	0.025
RMSD bond angle	2.317
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.180
High resolution limit [Å]	1.140	2.460	1.140
Rmerge	0.060	0.034	0.343
Total number of observations	283181
Number of reflections	77134
<I/σ(I)>	9.4
Completeness [%]	97.6	98.9	87.2
Redundancy	3.7	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M Citric acid pH 5.5, 1 M LiCl, 30 % PEG 6000