9MD8

Hip1 complex with inhibitor #2 (Hip1-2) via Ser228

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2022-07-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	103.725, 103.725, 127.189
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.350 - 2.300
R-factor	0.1986
Rwork	0.197
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.511
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.160	0.108	0.699
Rmeas	0.168	0.114	0.822
Rpim	0.051	0.035	0.421
Total number of observations	361720
Number of reflections	35692	3781	3350
<I/σ(I)>	7.9
Completeness [%]	99.5	99.8	95
Redundancy	10.1	10.7	3.3
CC(1/2)	0.991	0.994	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298.15	23.5% PEG 8000, 0.22 M ammonium Sulfate, 0.085 M Na Cacodylate trihydrate, pH 6.5, 15% v/v glycerol