4TLP

Crystal structure of a alanine91 mutant of WCI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-13
Detector	MAR CCD 130 mm
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	35.290, 69.950, 70.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.165 - 1.900
R-factor	0.1725
Rwork	0.171
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyl
RMSD bond length	0.007
RMSD bond angle	1.225
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.165
High resolution limit [Å]	1.900	1.900
Number of reflections	14305
<I/σ(I)>	16.5	16.5
Completeness [%]	100.0	100
Redundancy	14.2	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	30% PEG6000, 0.1M Sodium Citrate