6C1K

HypoPP mutant with ligand1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.99994
Spacegroup name	I 2 2 2
Unit cell lengths	126.394, 126.235, 191.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.310 - 2.700
R-factor	0.2116
Rwork	0.210
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.215
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.310	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	41173
<I/σ(I)>	18.5
Completeness [%]	99.6
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	ammonium sulphate, Na-citrate